7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one

C17H11NO3S — CID 2705029

IUPAC7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one
SMILESO=c1ccc2ccc(OCc3nc4ccccc4s3)cc2o1
InChIInChI=1S/C17H11NO3S/c19-17-8-6-11-5-7-12(9-14(11)21-17)20-10-16-18-13-3-1-2-4-15(13)22-16/h1-9H,10H2
InChIKeyFLVAEVRFZSRWAQ-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.98
Rot. Bonds3

About 7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one

7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one (PubChem CID 2705029) has the molecular formula C17H11NO3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one.

Molecular Properties

Compound Name7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one
PubChem CID2705029
Molecular FormulaC17H11NO3S
Molecular Weight309.35 g/mol
Exact Mass309.05
IUPAC Name7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one
SMILESO=c1ccc2ccc(OCc3nc4ccccc4s3)cc2o1
InChIInChI=1S/C17H11NO3S/c19-17-8-6-11-5-7-12(9-14(11)21-17)20-10-16-18-13-3-1-2-4-15(13)22-16/h1-9H,10H2
InChIKeyFLVAEVRFZSRWAQ-UHFFFAOYSA-N
XLogP3.98
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxoethoxy]chromen-2-one
CID 92539156
5-(1,3-benzothiazol-2-ylmethoxy)-2,3-dihydroinden-1-one
CID 104986102
1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pyridin-2-one
CID 139801837
2-[(3-iodophenoxy)methyl]-1,3-benzothiazole
CID 113218110
7-[2-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one
CID 55415896
[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine
CID 139801727
2-[[4-(2-methylpropoxy)phenoxy]methyl]-1,3-benzothiazole
CID 72705954
7-[(4-methoxyphenyl)methoxy]chromen-2-one
CID 2906140
1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630920
N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide
CID 18932135
N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7698043
4-(1,3-benzothiazol-2-ylmethoxy)-2-chlorobenzenecarbothioamide
CID 102724262

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one?
The IUPAC name of 7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one (CID 2705029) is 7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one.
What is the SMILES notation for 7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one?
The canonical SMILES for 7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one is O=c1ccc2ccc(OCc3nc4ccccc4s3)cc2o1.
What is the InChIKey of 7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one?
The InChIKey is FLVAEVRFZSRWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3S/c19-17-8-6-11-5-7-12(9-14(11)21-17)20-10-16-18-13-3-1-2-4-15(13)22-16/h1-9H,10H2.
What are the key properties of 7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one?
7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one has a molecular weight of 309.35 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one is sourced from PubChem (CID 2705029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).